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2,2,3,3-Tetrachloro-1,1,1,4,4,4-Hexafluorobutane
CAS: 375-34-8 | C4Cl4F6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
375-34-8
Molecular Formula:
C4Cl4F6
Molecular Mass:
303.84 g/mol
Names and Synonyms:
2,2,3,3-Tetrachloro-1,1,1,4,4,4-Hexafluorobutane
Butane, 2,2,3,3-tetrachloro-1,1,1,4,4,4-hexafluoro-
Butane, 2,2,3,3-tetrachlorohexafluoro-
2,2,3,3-Tetrachloro-1,1,1,4,4,4-hexafluorobutane
FC 316maa
CFC 316
1,1,1,4,4,4-Hexafluoro-2,2,3,3-tetrachlorobutane
NSC 60525
2,2,3,3-Tetrachlorohexafluorobutane
Identifiers:
SMILES:
FC(F)(F)C(Cl)(Cl)C(Cl)(Cl)C(F)(F)F
InChI:
InChI=1S/C4Cl4F6/c5-1(6,3(9,10)11)2(7,8)4(12,13)14
Key Properties
Boiling Point
131 °C
CAS Common Chemistry
Melting Point
83-84 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 303.84 g/mol | CAS Common Chemistry |
| 303.844 g/mol | RDKit | |
| 301.86583004 g/mol | RDKit | |
| Boiling Point | 131 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(Cl)(Cl)C(Cl)(Cl)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C4Cl4F6/c5-1(6,3(9,10)11)2(7,8)4(12,13)14 | CAS Common Chemistry |
| InChI Key | InChIKey=BZBLUUDREZEDDJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 83-84 °C | CAS Common Chemistry |
| Name | 2,2,3,3-Tetrachloro-1,1,1,4,4,4-hexafluorobutane | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.4588 | RDKit |
| Molar Refractivity | 40.983999999999995 | RDKit |
